SCHEMBL29566773

SCHEMBL29566773

Cc1ccccc1-c1nc(NS(=O)(=O)c2cnn(C)c2)nc(Oc2ccc(F)c(C3CCN(C)CC3)c2)c1C(F)(F)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 4/20 0.34
▸ JAK2 O60674 2/20 0.33
▸ PCK1 P35558 1/20 0.32
▸ HTR1A P08908 4/20 0.32
▸ HTR7 P34969 4/20 0.32
▸ SLC8A1 P32418 1/20 0.32
▸ HTR6 P50406 1/20 0.32
▸ GHSR Q92847 1/20 0.31
▸ AXL P30530 1/20 0.31
▸ BRAF P15056 1/20 0.31
▸ PTK2 Q05397 1/20 0.30
▸ HTR1F P30939 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24309558 1.00 SCN9A (0.34) SCN9AJAK2PCK1HTR1AHTR7
SCHEMBL24310541 0.95 SCN9A (0.36) SCN9AJAK2PCK1HTR1AHTR7
SCHEMBL29566894 0.95 SCN9A (0.36) SCN9AJAK2PCK1HTR1AHTR7
SCHEMBL24309541 0.90 HTR1A (0.34) SCN9AJAK2PCK1HTR1AHTR7
SCHEMBL29567070 0.89 SCN9A (0.40) SCN9AJAK2HTR1AHTR7SLC8A1
SCHEMBL24310783 0.89 SCN9A (0.40) SCN9AJAK2HTR1AHTR7SLC8A1
SCHEMBL29566769 0.89 SCN9A (0.34) SCN9AJAK2PCK1HTR1AHTR7
SCHEMBL24309548 0.89 SCN9A (0.34) SCN9AJAK2PCK1HTR1AHTR7
SCHEMBL24309520 0.88 SCN9A (0.35) SCN9AJAK2PCK1HTR1AHTR7
SCHEMBL29566590 0.88 SCN9A (0.35) SCN9AJAK2PCK1HTR1AHTR7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
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